V001-6587 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

V001-6587 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one
V001-6587 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6587
1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V001-6587

Molecular Formula

C28H22ClF3N2O2 (C28 H22 ClF3 N2 O2)

Compound Name

1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-one

IUPAC name

1-[1-(4-chlorophenyl)-1234-tetrahydroisoquinolin-2-yl]-2-{5-methyl-2-[4-(trifluoromethyl)phenyl]-13-oxazol-4-yl}ethan-1-one

SMILES

Cc1c(CC(N(CC2)C(c(cc3)ccc3Cl)c3c2cccc3)=O)nc(-c2ccc(C(F)(F)F)cc2)o1

InChI

InChI=1S/C28H22ClF3N2O2/c1-17-24(33-27(36-17)20-6-10-21(11-7-20)28(30,31)32)16-25(35)34-15-14-18-4-2-3-5-23(18)26(34)19-8-12-22(29)13-9-19/h2-13,26H,14-16H2,1H3/t26-/m0/s1

InChI Key

PLRULAQHFSEXGY-SANMLTNESA-N

MDL Number (MFCD)

MFCD19958203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.165

Distribution Coefficient, logD

7.165

Water Solubility, LogSw

-6.46

Polar Surface Area

33.456

Acid Dissociation Constant (pKa)

20.31

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

V001-6587 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-6587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6587?
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What is the minimum amount of V001-6587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6587
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V001-6587 available by request